2-cyano-N-(1,3-thiazol-2-yl)acetamide

C6H5N3OS — CID 693166

IUPAC2-cyano-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CCC(=O)Nc1nccs1
InChIInChI=1S/C6H5N3OS/c7-2-1-5(10)9-6-8-3-4-11-6/h3-4H,1H2,(H,8,9,10)
InChIKeyZSPNFPWMLPHDQS-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.00
Rot. Bonds2

About 2-cyano-N-(1,3-thiazol-2-yl)acetamide

2-cyano-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 693166) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-cyano-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1,3-thiazol-2-yl)acetamide
PubChem CID693166
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name2-cyano-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CCC(=O)Nc1nccs1
InChIInChI=1S/C6H5N3OS/c7-2-1-5(10)9-6-8-3-4-11-6/h3-4H,1H2,(H,8,9,10)
InChIKeyZSPNFPWMLPHDQS-UHFFFAOYSA-N
XLogP1.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(1,3-thiazol-2-yl)acetamide (CID 693166) is 2-cyano-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1,3-thiazol-2-yl)acetamide is N#CCC(=O)Nc1nccs1.
What is the InChIKey of 2-cyano-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZSPNFPWMLPHDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-2-1-5(10)9-6-8-3-4-11-6/h3-4H,1H2,(H,8,9,10).
What are the key properties of 2-cyano-N-(1,3-thiazol-2-yl)acetamide?
2-cyano-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 167.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 693166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).